SCHEMBL877902

SCHEMBL877902

O=C(O)Oc1ccc2c(c1)[C@H](N1Cc3cccc(Cl)c3C1=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.40
MTNR1A P48039 5/20 0.40
CRBN Q96SW2 2/20 0.40
MAPT P10636 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ACHE P22303 2/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL785044 0.84 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL484302 0.84 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL484526 0.81 MAPT (0.40) MTNR1BMTNR1ACRBNMAPT
SCHEMBL785796 0.81 MAPT (0.40) MTNR1BMTNR1ACRBNMAPT
SCHEMBL785795 0.79 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL2816152 0.79 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL785723 0.79 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL785475 0.78 MAPT (0.41) MTNR1BCRBNMAPTHTR2AHTR2C
SCHEMBL785549 0.78 MAPT (0.41) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL484776 0.78 MAPT (0.41) MTNR1BCRBNMAPTHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed